Re: [phenixbb] heavy atom in pdb for refinement

Hi,

I have Zn atoms in my pdb for refinement. However, it failed with the following scripts. Do I have to create a libary of this heavy atom?

no, you shouldn't. Zn should be recognized automatically if it is properly defined in input PDB file. I just verified that if it is formatted like this: HETATM 2306 ZN ZN D 1 24.598 75.945 -1.390 1.00 5.00 ZN then it works fine. I'm not sure if capitalization is important as well as HETATM instead of ATOM - this is something you can try in no time. Pavel.